TG3D
lo_z_pwr@yahoo.com
1. The Search button in the left panel of this Web page opens an empty page with just a title. I have enabled popup windows, but still no luck--is it broken?
2. I can no longer display molecular orbitals of the Firefly 8.2 output files in a small and useful, although no longer supported, MAsK program (http://ccmsi.us/mask/). I've tried to change the OUT extension to the LOG one, but no luck. Can anybody confirm this problem? MAsK used to work fine with the Firefly 7.1 output files (but it was on a 32-bit Windows system.) Also, the interatomic distances between various atom pairs are wrong even though I specified COORD=CART in the in[put file, and the final distance matrix is correct.
I'd like to add that I have a gMolden version working, but MAsK was so quick and useful for simpler jobs I'd like to regain its use.